MCULE-6544692439
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-6544692439.sdf |
SMILES | MCULE-6544692439.smiles |
Standard InChI | MCULE-6544692439.inchi |
InChIKey | MCULE-6544692439.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886600548 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889922221 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869283565 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-889822988 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-584549047 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-104680 | Chemical Block | Screening Library | 90 | As is | 151 mg |
P-34672583 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580380917 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-889337852 | FluoroChem | General BB | N/A | As is | in stock |
P-854869555 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-24026994 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22577291 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-2125342 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
P-893853317 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893790107 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 141.168 |
logP | -0.0545 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 32.84 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 39.631 |
Atoms | 21 |
Rings | 2 |
Heavy atoms | 10 |
Hydrogen atoms | 11 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |